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Software . 2021

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Software . 2021

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rdkit/rdkit: 2021_03_2 (Q1 2021) Release

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 12 May 2021Publisher:Zenodo

Authors: Greg Landrum; Paolo Tosco; Brian Kelley; sriniker; Ric; gedeck; Riccardo Vianello; +23 Authors

doi: 10.5281/zenodo.4750957

rdkit/rdkit: 2021_03_2 (Q1 2021) Release

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Abstract

Release_2021.03.2 (Changes relative to Release_2021.03.1) Acknowledgements Harrison Green, Brian Kelley, Alan Kerstjens, Dan Nealschneider, Alessio Ragno, Paolo Tosco, Kazuya Ujihara, Riccardo Vianello Bug Fixes: Draw.MolToImage() cannot highlight with highlightMap (v > '2019.09.3' ) (github #3616 from spideralessio) SparseIntVect copy constructor and assignment operators not clearing existing data (github #3994 from AlanKerstjens) update clang version for linux CI fuzzer builds (github #4012 from greglandrum) Update coordgen to 2.0.3 (github #4017 from d-b-w) Get SWIG wrappers working with C# again (github #4020 from kazuyaujihara) replaceSidechains creates aromatic dummy atoms (github #4022 from ptosco) A set of fixes for problems caused by bad input (github #4033 from greglandrum) Cleanup some problems found during an ASAN build (github #4054 from greglandrum) Avoid that lone atoms which are part of a ring in one of the molecules become part of the MCS (github #4065 from ptosco) call to pyAvalonTools.Generate2DCoords results in an assert violation (github #4075 from rvianello) Update boost download location in Dockerfile (github #4094 from greglandrum) RemoveStereochemistry should also remove stereogroups (github #4115 from greglandrum) Avoid that MolStandardizer segfaults on empty mols (github #4119 from ptosco) SEGV in RWMol::commitBatchEdit (github #4122 from hgarrereyn)

Related Organizations

The 451 Group (United States)
United States
Kyushu Institute of Technology
Japan
Alabama Agricultural and Mechanical University
United States

1 Research products, page 1 of 1

rdkit/rdkit: 2025_03_6 (Q1 2025) Release
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Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	2
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Top 10%
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average